Tag: 0-100

Application In Synthesis of 1-MethylpyrazoleOn June 9, 2022, Rong, Deqin; Zhou, Kaixin; Fang, Wei; Yang, Hong; Zhang, Yi; Shi, Qiongyu; Huang, Yuting; Li, Jiayi; Dong, Hui; Li, Lanlan; Ding, Jian; Huang, Xun; Wang, Yuanxiang published an article in Journal of Medicinal Chemistry. The article was 《Structure-Aided Design, Synthesis, and Biological Evaluation of Potent and Selective Non-Nucleoside Inhibitors Targeting Protein Arginine Methyltransferase 5》. The article mentions the following:

PRMT5 is a major type II protein arginine methyltransferase and plays important roles in diverse cellular processes. Overexpression of PRMT5 is implicated in various types of cancer. Many efforts have been made to develop potent and selective PRMT5 inhibitors, the most potent of which is usually derived from nucleoside structures. Here, we designed a novel series of non-nucleoside PRMT5 inhibitors through the structure-aided drug design approach. SAR exploration and metabolic stability optimization led to the discovery of compound 41 as a potent PRMT5 inhibitor with good selectivity. Addnl., compound 41 exerted antiproliferative effects against A375 cells by inducing apoptosis and potently inhibited the methyltransferase activity of PRMT5 in cells. Moreover, it showed attractive pharmacokinetic properties and markedly suppressed the tumor growth in an A375 tumor xenograft model. These results clearly indicate that 41 is a highly potent and selective non-nucleoside PRMT5 inhibitor. The experimental process involved the reaction of 1-Methylpyrazole(cas: 930-36-9Application In Synthesis of 1-Methylpyrazole)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Application In Synthesis of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Recommanded Product: 930-36-9On November 1, 2019 ,《Hydroxyl-functionalized pyrazolium ionic liquids to catalyze chemical fixation of CO2: Further benign reaction condition for the single-component catalyst》 appeared in Journal of Molecular Liquids. The author of the article were Wang, Tengfei; Ma, Yuan; Jiang, Jiamin; Zhu, Xinrui; Fan, Baowan; Yu, Guanyao; Li, Ningning; Wang, Shasha; Ren, Tiegang; Wang, Li; Zhang, Jinglai. The article conveys some information:

Lots of ionic liquids have been utilized as catalyst for the coupling reaction of carbon dioxide with epoxides; however, catalyzed conditions could not be regarded as benign, especially when no co-catalyst and/or organic solvent is involved. A series of hydroxyl-functionalized pyrazolium ionic liquids are firstly synthesized. They would efficiently catalyze the cycloaddition of carbon dioxide and propylene oxide under 110°C and 1.0 MPa carbon dioxide initial pressure with 1 mol% catalyst during 4 h resulting in the product yield of 91.2%. The catalytic condition is greatly refined as compared with other single-component ionic liquids with simple anion. Simultaneously, the effect of reaction temperature, amount of catalyst, carbon dioxide initial pressure, and reaction time is explored along with the reusability of catalyst. For most of epoxides with terminal substituted group, HEEPzBr presents acceptable catalytic activity. The difference of HEMPzBr, HEEPzBr, and HPEPzBr is also explored by the d. functional theory calculations The experimental part of the paper was very detailed, including the reaction process of 1-Methylpyrazole(cas: 930-36-9Recommanded Product: 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Recommanded Product: 930-36-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

In 2020,Catalysis Science & Technology included an article by Zhang, Shaoke; Weniger, Florian; Kreyenschulte, Carsten Robert; Lund, Henrik; Bartling, Stephan; Neumann, Helfried; Ellinger, Stefan; Taeschler, Christoph; Beller, Matthias. COA of Formula: C4H6N2. The article was titled 《Towards a practical perfluoroalkylation of (hetero)arenes with perfluoroalkyl bromides using cobalt nanocatalysts》. The information in the text is summarized as follows:

A convenient methodol. for perfluoroalkylation including trifluoromethylation of (hetero)arenes with perfluoroalkyl bromides was developed. Key for the success is the use of a specific cobalt-based nanocatalyst, which can be recycled at least up to 4 times. The scope of this first cobalt-catalyzed perfluoroalkylation is presented. In addition to this study using 1-Methylpyrazole, there are many other studies that have used 1-Methylpyrazole(cas: 930-36-9COA of Formula: C4H6N2) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. COA of Formula: C4H6N2

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Quality Control of 1-MethylpyrazoleOn October 10, 2020 ,《Measurement and correlation of solubility of 1-methyl-3,4,5-trinitropyrazole in twelve pure solvents at temperatures from 283.15 K to 323.15 K》 was published in Journal of Molecular Liquids. The article was written by Zhang, Tong-wei; Guo, Hao-qi; Li, Yong-xiang; Liu, Yong-zheng. The article contains the following contents:

In the present study, the solubility of 1-methyl-3,4,5-trinitropyrazole (MTNP) was determined by a dynamic laser monitoring at T = (283.15, 288.15, 293.15, 298.15, 303.15, 308.15, 313.15, 318.15 and 323.15) K in twelve pure solvents, including water, benzene (Ph), di-Me sulfate (DMS), methylbenzene (PhMe), THF (THF), methanol (MeOH), ethanol (EtOH), 1,2-dichloroethane (DCE), nitromethane (NM), acetonitrile (ACN), Et acetate (EA) and formic acid (FA), at atm. pressure (P = 0.1 MPa). In the temperature range from 283.15 K to 323.15 K, the mole fraction solubility values of MTNP in water, Ph, DMS, PhMe, THF, MeOH, EtOH, DCE, NM, ACN, EA and FA were 0.000008-0.000072, 0.003495-0.025271, 0.002153-0.037197, 0.001602-0.012304, 0.002103-0.074525, 0.000318-0.001625, 0.003752-0.048205, 0.017836-0.047105, 0.008408-0.016783, 0.003579-0.012367, 0.004460-0.022006 and 0.220917-0.443206. As revealed from the exptl. results, the solubility of MTNP in twelve pure solvents increased with the increase in the temperature The solubility behaviors of MTNP in investigated solvents were analyzed with the Hansen solubility parameter. The Kamlet-Taft parameters were calculated to delve into the solvent effect. Subsequently, the measured solubility data was correlated with five thermodn. models, i.e., the modified Apelblat equation, λh equation, NRTL model, Wilson model and Two-Suffix Margules model. Overall, the NRTL model provided the most satisfactory fitting results. As revealed from the results, the min. average values of relative mean deviation (104ARD) and root-mean square deviation (104RMSD) were determined with the NRTL model that achieved the values of 2.06 and 1.49. Furthermore, the dissolution thermodn. parameters, including mixing enthalpy (ΔmixH), mixing entropy (ΔmixS) and mixing Gibbs energy (ΔmixG) were calculated according to the Wilson model, and the relative contributions of enthalpy %ζH and entropy %ζS were also calculated It can be seen that the dissolution of MTNP in a given solvent is spontaneous and entropy driven. In the experiment, the researchers used 1-Methylpyrazole(cas: 930-36-9Quality Control of 1-Methylpyrazole)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Quality Control of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Jagtap, Ajit Dhananjay; Kondekar, Nagendra B.; Hung, Pei-Yun; Hsieh, Chen-En; Yang, Chia-Ron; Chen, Grace Shiahuy; Chern, Ji-Wang published an article on January 31 ,2020. The article was titled 《4-Substituted 2-amino-3,4-dihydroquinazolines with a 3-hairpin turn side chain as novel inhibitors of BACE-1》, and you may find the article in Bioorganic Chemistry.Product Details of 930-36-9 The information in the text is summarized as follows:

Herein, the authors report the identification, design, and synthesis of a series of 4-substituted 2-amino-3,4-dihydroquinazolines I [R1 = Me, CH:CH2, Bn, etc., R2 = Me, cyclopropyl, (1-methyl-1H-pyrazol-4-yl)methyl] with hairpin turn side chains as novel inhibitors of BACE-1. The dihydroquinazoline derivatives were rationally designed by modifying the amide group and relocating the α-hydrophobic substituent on the hairpin turn side chain of lead compound II to the C4-position on the 3,4-dihydroquinazoline scaffold to facilitate interactions with the S1, S2 and S1′ subsites of BACE-1. Among these derivatives, two compounds exhibited potent BACE-1 inhibitory activity: 4-methyl-substituted derivative I [R1 = Me, R2 = (1-methyl-1H-pyrazol-4-yl)methyl] (BACE-1 CFA IC50 = 0.38μM; BACE-1 WCA IC50 = 0.14μM) and 4-cyclohexylmethyl-substituted derivative I [R1 = cyclohexylmethyl, R2 = (1-methyl-1H-pyrazol-4-yl)methyl] (BACE-1 CFA IC50 = 0.49μM; BACE-1 WCA IC50 = 0.14μM). The results suggest that the structural modifications maintain the hairpin turn topol. similar to that of compound II and provide an addnl. interaction with the S2 subsite. The results came from multiple reactions, including the reaction of 1-Methylpyrazole(cas: 930-36-9Product Details of 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Product Details of 930-36-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Sun, Xiaohua; Feng, Lijun; Sun, Chuance; Kang, Congmin published their research in Pharmaceutical Chemistry Journal on December 31 ,2021. The article was titled 《Synthesis of Quinoxaline Derivatives as Intermediates to Obtain Erdafitinib》.Related Products of 930-36-9 The article contains the following contents:

In this work, quinoxaline derivative 7-bromo-2-(1-methyl-1H-pyrazol-4-yl)quinoxaline, which is an essential intermediate to obtain drug erdafitinib, has been synthesized in reasonably good yield using 4-bromobenzene-1,2-diamine and 2-bromo-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-one as raw materials, triethylene diamine (DABCO) as catalyst, and THF as solvent. To the best of authors’ knowledge, this is the first time 7-bromo-2-(1-methyl-1H-pyrazol-4-yl)quinoxaline has been acquired by the proposed method. In the experiment, the researchers used 1-Methylpyrazole(cas: 930-36-9Related Products of 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Related Products of 930-36-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Quality Control of 1-MethylpyrazoleOn May 1, 2022 ,《Phosphine-free ruthenium complexes supported by a pincer ligand bearing 1,2-dihydropyrimidine for Oppenauer-type oxidation of secondary alcohols》 appeared in Journal of Organometallic Chemistry. The author of the article were Zhou, Jun; Luo, Shubiao; Liu, Hongming; Xue, Peng. The article conveys some information:

Treatment of the (diethylaminomethyl-picolyl)pyrazolium (A3) with NaOH in dichloromethane affords the pincer ligand (L) bearing a 1,2-dihydropyrimidine unit. Reaction of [RuCl2(DMSO)4] and the ligand (L) affords the complex [RuCl2(L)(DMSO)] (Ru1). Removal of the chlorides from Ru1 with either NaBF4 or KPF6 in CH3CN produces the complexes [Ru(L)(CH3CN)3](BF4)2 (Ru2) and [Ru(L)(CH3CN)3](PF6)2 (Ru3), resp. Ru2 has been characterized with X-ray crystallog. All of the new ruthenium complexes (Ru1-Ru3) are catalytically active in the Oppenauer-type oxidation of secondary alcs. Among them, the complex Ru1 is the most active. Steric effects were observed from the outcome of substituted acetophenones. The experimental part of the paper was very detailed, including the reaction process of 1-Methylpyrazole(cas: 930-36-9Quality Control of 1-Methylpyrazole)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Quality Control of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Zhang, Lingtian; Moccia, Marialuisa; Briggs, David C.; Bharate, Jaideep B.; Lakkaniga, Naga Rajiv; Knowles, Phillip; Yan, Wei; Tran, Phuc; Kharbanda, Anupreet; Wang, Xiuqi; Leung, Yuet-Kin; Frett, Brendan; Santoro, Massimo; McDonald, Neil Q.; Carlomagno, Francesca; Li, Hong-yu published an article on January 27 ,2022. The article was titled 《Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose》, and you may find the article in Journal of Medicinal Chemistry.Application of 930-36-9 The information in the text is summarized as follows:

Mutations of the rearranged during transfection (RET) kinase are frequently reported in cancer, which make it as an attractive therapeutic target. Herein, we discovered a series of N-trisubstituted pyrimidine derivatives as potent inhibitors for both wild-type (weight) RET and RETV804M, which is a resistant mutant for several FDA-approved inhibitors. The X-ray structure of a representative inhibitor with RET revealed that the compound binds in a unique pose that bifurcates beneath the P-loop and confirmed the compound as a type I inhibitor. Through the structure-activity relationship (SAR) study, compound 20 (I) was identified as a lead compound, showing potent inhibition of both RET and RETV804M. Addnl., compound 20 displayed potent antiproliferative activity of CCDC6-RET-driven LC-2/ad cells. Anal. of RET phosphorylation indicated that biol. activity was mediated by RET inhibition. Collectively, N-trisubstituted pyrimidine derivatives could serve as scaffolds for the discovery and development of potent inhibitors of type I RET and its gatekeeper mutant for the treatment of RET-driven cancers. The results came from multiple reactions, including the reaction of 1-Methylpyrazole(cas: 930-36-9Application of 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Application of 930-36-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Ul′yanovskii, Nikolay V.; Kosyakov, Dmitry S.; Popov, Mark S.; Shavrina, Irina S.; Ivakhnov, Artem D.; Kenessov, Bulat; Lebedev, Albert T. published their research in Microchemical Journal on December 31 ,2021. The article was titled 《Rapid quantification and screening of nitrogen-containing rocket fuel transformation products by vortex assisted liquid-liquid microextraction and gas chromatography – high-resolution Orbitrap mass spectrometry》.Safety of 1-Methylpyrazole The article contains the following contents:

Existing and newly developed technologies for clean-up of wastewaters and soils contaminated with rocket fuel unsym. dimethylhydrazine (UDMH) are based on the oxidative treatment, as well as gasification in supercritical water. Being easily transformed by a radical mechanism, UDMH is capable of producing an extremely wide range of potentially hazardous nitrogen-containing products. Their identification and simultaneous quantification at low concentrations in water samples by gas chromatog. is a challenging task requiring a matrix change. We proposed a combination of dispersive vortex-assisted liquid-liquid microextraction (VALLME) of analytes followed by gas chromatog. – Orbitrap mass spectrometry allowing simultaneous target anal. and non-targeted screening. Dichloromethane and chloroform provided rapid (10 min) and effective extraction of most of UDMH transformation products. The maximum recoveries were achieved by alkalizing and saturating the aqueous samples with ammonium sulfate. The use of pyridine-d5 as an internal standard allowed developing an approach to the simultaneous determination of 24 compounds of various classes with detection limits for the most analytes in the range 0.02-1.1 μg L-1 and accuracy of 81-117% with low-cost, simple, and rapid sample preparation procedure. Extraction with a 100 μL of chloroform allowed further increasing sensitivity up to one order of magnitude and attaining LOD values for 20 compounds in the range of 0.002-0.1 μg L-1 comparable with that obtained by vacuum-assisted headspace solid-phase microextraction The developed method was validated and tested for the analyses of real samples – degraded aqueous solution of rocket fuel, products of UDMH treatment in supercritical water and aqueous extract of soil from the place of carrier rocket accidental crash. Twenty-nine compounds that were not previously described as UDMH transformation products were tentatively identified.1-Methylpyrazole(cas: 930-36-9Safety of 1-Methylpyrazole) was used in this study.

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Safety of 1-Methylpyrazole

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics

Kudashev, Anton; Baudoin, Olivier published their research in Chemistry – A European Journal on December 15 ,2021. The article was titled 《Site-Selective Pd-Catalyzed C(sp3)-H Arylation of Heteroaromatic Ketones》.Related Products of 930-36-9 The article contains the following contents:

A ligand-controlled site-selective C(sp3)-H arylation of heteroaromatic ketones had been developed using Pd catalysis to gave ArC(O)CHR1CH2R2 [Ar = thiazol-2-yl, 2-pyridyl, 2-quinolyl, etc.; R1 = Ph, 4-MeC6H4, 2-naphthyl, etc.; R2 = H, Me, ph, etc.]. The reaction occurred selectively at the α- or β-position of the ketone side-chain. The switch from α- or β-arylation was realized by addition of a pyridone ligand. The α-arylation process showed broad scope and high site- and chemoselectivity, whereas the β-arylation was more limited. Mechanistic investigations suggested that α-arylation occurs through C-H activation/oxidative addition/reductive elimination whereas β-arylation involves desaturation and aryl insertion. After reading the article, we found that the author used 1-Methylpyrazole(cas: 930-36-9Related Products of 930-36-9)

1-Methylpyrazole(cas: 930-36-9) belongs to pyrazoles. Pyrazoles and their related multiring analogs are common elements of a wide variety of bioactive compounds. These ring structures are rare in nature. A consequence of this is that they have previously been thought to be poor moieties to include in potential new drugs. Related Products of 930-36-9

Referemce:
Pyrazole – Wikipedia,
Pyrazoles – an overview | ScienceDirect Topics